3-amino-6-(8-chloroquinolin-6-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide;ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate

C100H94Cl4N32O7 — CID 159409120

About 3-amino-6-(8-chloroquinolin-6-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide;ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate

3-amino-6-(8-chloroquinolin-6-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide;ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate (PubChem CID 159409120) has the molecular formula C100H94Cl4N32O7 and a molecular weight of 1997.88 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide;ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 3-amino-6-(8-chloroquinolin-6-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide;ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate
• PubChem CID: 159409120
• Molecular Formula: C100H94Cl4N32O7
• Molecular Weight: 1997.88 g/mol
• Exact Mass: 1994.67
• IUPAC Name: 3-amino-6-(8-chloroquinolin-6-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide;ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1ccc(CNC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)nc1.CN1CCC(CNC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1.Cn1ccc(-c2nc(N)c(C(=O)NCCN3CCCC3=O)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(CNC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)c1
• InChI: InChI=1S/C27H23ClN8O3.C25H27ClN8O.C24H23ClN8O2.C24H21ClN8O/c1-3-39-27(38)16-6-7-18(31-13-16)14-32-26(37)24-25(29)34-23(20-8-10-36(2)35-20)22(33-24)17-11-15-5-4-9-30-21(15)19(28)12-17;1-33-9-5-15(6-10-33)14-29-25(35)23-24(27)31-22(19-7-11-34(2)32-19)21(30-23)17-12-16-4-3-8-28-20(16)18(26)13-17;1-32-10-6-17(31-32)21-20(15-12-14-4-2-7-27-19(14)16(25)13-15)29-22(23(26)30-21)24(35)28-8-11-33-9-3-5-18(33)34;1-32-8-5-14(13-32)12-28-24(34)22-23(26)30-21(18-6-9-33(2)31-18)20(29-22)16-10-15-4-3-7-27-19(15)17(25)11-16/h4-13H,3,14H2,1-2H3,(H2,29,34)(H,32,37);3-4,7-8,11-13,15H,5-6,9-10,14H2,1-2H3,(H2,27,31)(H,29,35);2,4,6-7,10,12-13H,3,5,8-9,11H2,1H3,(H2,26,30)(H,28,35);3-11,13H,12H2,1-2H3,(H2,26,30)(H,28,34)
• InChIKey: LOIRALADPJGRRS-UHFFFAOYSA-N
• XLogP: 13.51
• TPSA: 514.11 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1997.88
LogP ≤ 5	13.51
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide;ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate?

The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide;ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate (CID 159409120) is 3-amino-6-(8-chloroquinolin-6-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide;ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate.

What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide;ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate?

The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide;ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate is CCOC(=O)c1ccc(CNC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)nc1.CN1CCC(CNC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1.Cn1ccc(-c2nc(N)c(C(=O)NCCN3CCCC3=O)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(CNC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)c1.

What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide;ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate?

The InChIKey is LOIRALADPJGRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN8O3.C25H27ClN8O.C24H23ClN8O2.C24H21ClN8O/c1-3-39-27(38)16-6-7-18(31-13-16)14-32-26(37)24-25(29)34-23(20-8-10-36(2)35-20)22(33-24)17-11-15-5-4-9-30-21(15)19(28)12-17;1-33-9-5-15(6-10-33)14-29-25(35)23-24(27)31-22(19-7-11-34(2)32-19)21(30-23)17-12-16-4-3-8-28-20(16)18(26)13-17;1-32-10-6-17(31-32)21-20(15-12-14-4-2-7-27-19(14)16(25)13-15)29-22(23(26)30-21)24(35)28-8-11-33-9-3-5-18(33)34;1-32-8-5-14(13-32)12-28-24(34)22-23(26)30-21(18-6-9-33(2)31-18)20(29-22)16-10-15-4-3-7-27-19(15)17(25)11-16/h4-13H,3,14H2,1-2H3,(H2,29,34)(H,32,37);3-4,7-8,11-13,15H,5-6,9-10,14H2,1-2H3,(H2,27,31)(H,29,35);2,4,6-7,10,12-13H,3,5,8-9,11H2,1H3,(H2,26,30)(H,28,35);3-11,13H,12H2,1-2H3,(H2,26,30)(H,28,34).

What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide;ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate?

3-amino-6-(8-chloroquinolin-6-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide;ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate has a molecular weight of 1997.88 g/mol, XLogP of 13.51, 23 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(8-chloroquinolin-6-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide;ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 159409120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).